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CAS 2172819-74-6 6-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-6-oxohexanoic acid molecular structure lightbox
CAS RN: 2172819-74-6

6-(((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamoyl)pyrrolidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl)amino)-6-oxohexanoic acid

Product Availability

Choose a grade to view its available package options.

13 package records12 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 100mg In stock Inquiry
Batchno.20251105 10mg In stock Inquiry
Batchno.20260215 250mg In stock Inquiry
Batchno.20250111 25mg In stock Inquiry
Batchno.20250614 500mg In stock Inquiry
Batchno.20260519 50mg In stock Inquiry
Batchno.20260105 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260531 100mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250825 1g In stock Shanghai Inquiry
Batchno.20260414 250mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20251104 50mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260305 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260605 100mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-104777
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2172819-74-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2172819-74-6 / 6-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-6-oxohexanoic acid

Standard CAS: 2172819-74-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2172819-74-6
Multi CAS
No
Molecular Formula
C28H38N4O6S
Molecular Weight
558.700000
Exact Mass
558.251206
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCC(=O)O)O
InChI
InChI=1S/C28H38N4O6S/c1-17-24(39-16-30-17)19-11-9-18(10-12-19)14-29-26(37)21-13-20(33)15-32(21)27(38)25(28(2,3)4)31-22(34)7-5-6-8-23(35)36/h9-12,16,20-21,25,33H,5-8,13-15H2,1-4H3,(H,29,37)(H,31,34)(H,35,36)/t20-,21+,25-/m1/s1
InChIKey
DKSZOQIYZOVHOL-TYBLODHISA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
11
Fraction Csp3
0.54
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
4
Molar refractivity
147.75
TPSA
148.93

LogP / Solubility

WLOGP
2.87
MLOGP
2.57
XLogP3
2.5
Consensus LogP
2.65
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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